D628-0052 Screening compound: 2-[1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole

D628-0052 Screening compound: 2-[1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole
D628-0052 Screening compound: 2-[1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D628-0052
2-[1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D628-0052

Molecular Formula

C18H15ClN2OS (C18 H15 ClN2 OS)

Compound Name

2-[1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1,3-benzothiazole

IUPAC name

2-[1-(4-chlorobenzoyl)pyrrolidin-2-yl]-13-benzothiazole

SMILES

O=C(c(cc1)ccc1Cl)N(CCC1)C1c1nc(cccc2)c2s1

InChI

InChI=1S/C18H15ClN2OS/c19-13-9-7-12(8-10-13)18(22)21-11-3-5-15(21)17-20-14-4-1-2-6-16(14)23-17/h1-2,4,6-10,15H,3,5,11H2/t15-/m0/s1

InChI Key

ONIJYMKHEDVDQG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15142284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.73

Polar Surface Area

26.396

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D628-0052 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D628-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D628-0052?
Check Price and Availability of D628-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D628-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D628-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D628-0052
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D628-0052 available by request